4-[5-[4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine

C32H34F2N8O2 — CID 118413994

About 4-[5-[4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine

4-[5-[4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine (PubChem CID 118413994) has the molecular formula C32H34F2N8O2 and a molecular weight of 600.67 g/mol. Its IUPAC name is 4-[5-[4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine.

Molecular Properties

• Compound Name: 4-[5-[4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine
• PubChem CID: 118413994
• Molecular Formula: C32H34F2N8O2
• Molecular Weight: 600.67 g/mol
• Exact Mass: 600.28
• IUPAC Name: 4-[5-[4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine
• SMILES: Cc1[nH]c(C2(C)CCN(c3ncnc4[nH]c(-c5ccc(N6CCOCC6)nc5)cc34)CC2)nc1-c1cccc(OC(F)F)c1
• InChI: InChI=1S/C32H34F2N8O2/c1-20-27(21-4-3-5-23(16-21)44-31(33)34)40-30(38-20)32(2)8-10-42(11-9-32)29-24-17-25(39-28(24)36-19-37-29)22-6-7-26(35-18-22)41-12-14-43-15-13-41/h3-7,16-19,31H,8-15H2,1-2H3,(H,38,40)(H,36,37,39)
• InChIKey: DLOYDTCOXFAXQZ-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 108.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.67
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine?

The IUPAC name of 4-[5-[4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine (CID 118413994) is 4-[5-[4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine.

What is the SMILES notation for 4-[5-[4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine?

The canonical SMILES for 4-[5-[4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine is Cc1[nH]c(C2(C)CCN(c3ncnc4[nH]c(-c5ccc(N6CCOCC6)nc5)cc34)CC2)nc1-c1cccc(OC(F)F)c1.

What is the InChIKey of 4-[5-[4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine?

The InChIKey is DLOYDTCOXFAXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F2N8O2/c1-20-27(21-4-3-5-23(16-21)44-31(33)34)40-30(38-20)32(2)8-10-42(11-9-32)29-24-17-25(39-28(24)36-19-37-29)22-6-7-26(35-18-22)41-12-14-43-15-13-41/h3-7,16-19,31H,8-15H2,1-2H3,(H,38,40)(H,36,37,39).

What are the key properties of 4-[5-[4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine?

4-[5-[4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine has a molecular weight of 600.67 g/mol, XLogP of 5.71, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 118413994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).